Carbamic acid, (1-phenyl-2-propenyl)-, methyl ester

Base Information

• Chemical Name: Carbamic acid, (1-phenyl-2-propenyl)-, methyl ester
• CAS No.: 86766-60-1
• Molecular Formula: C11H13NO2
• Molecular Weight: 191.23
• DSSTox Substance ID: DTXSID60443378
• Nikkaji Number: J1.350.672H
• Mol file: 86766-60-1.mol

Synonyms:86766-60-1;Carbamic acid, (1-phenyl-2-propenyl)-, methyl ester;DTXSID60443378;methyl N-(1-phenylallyl)carbamate;methyl N-(1-phenylprop-2-enyl) carbamate;1-Phenyl-2-propenylcarbamic acid methyl ester

Chemical Property of Carbamic acid, (1-phenyl-2-propenyl)-, methyl ester

Chemical Property:

• Boiling Point: 70 °C(Press: 0.008 Torr)
• PSA: 41.82000
• Density: 1.062±0.06 g/cm3(Predicted)
• LogP: 2.47410
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NC(C=C)C1=CC=CC=C1

Technology Process of Carbamic acid, (1-phenyl-2-propenyl)-, methyl ester

There total 10 articles about Carbamic acid, (1-phenyl-2-propenyl)-, methyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(2E)-3-phenyl-2-propen-1-ol (4407-36-7) → Methyl N-(1-phenylprop-2-enyl)carbamate (86766-60-1)

Guidance literature:

Multi-step reaction with 4 steps

1: CH₂Cl₂ / 2 h / Ambient temperature

2: aq. K₂CO₃ / methanol / 2.5 h / Ambient temperature

3: Ph₃P, Et₃N, CBr₄ / CH₂Cl₂ / 1 h / Ambient temperature

4: 3 h

With carbon tetrabromide; potassium carbonate; triethylamine; triphenylphosphine; In methanol; dichloromethane;

Reference yield:

C13H16N2O4S → Methyl N-(1-phenylprop-2-enyl)carbamate (86766-60-1)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 3h; Yield given;

DOI:10.1021/jo00168a040

Reference yield:

isocyanate de chlorosulfonyle (1189-71-5) + 1-phenylallyl methyl ether (22665-13-0) → (E)-N-(3-phenylallyl)carbamic acid methyl ester (33143-51-0) + Methyl N-(1-phenylprop-2-enyl)carbamate (86766-60-1)

Guidance literature:

With sodium carbonate; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)00776-0

upstream raw materials:

methanol

1-Phenyl-allylisocyanat

isocyanate de chlorosulfonyle

1-phenylallyl methyl ether

Downstream raw materials:

1-(phenyl)allylamine

Methyl N-(1-Phenyl-1-propenyl)carbamate

N-methyl-N-<α-phenyl-allyl>amine